scholarly journals Determination of the Work Function of Photosensitive Dyes by Means of Molecular Orbital Method, Polarography and Absorption Spectra

1968 ◽  
Vol 71 (4) ◽  
pp. 606-607 ◽  
Author(s):  
Tadaaki TANI ◽  
Ken-ichi HONDA ◽  
Shin-ichi KIKUCHI ◽  
Koichiro OKADA
Keyword(s):  
Work Function ◽  
Absorption Spectra ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method

Application of the fragment molecular orbital method for determination of atomic charges on polypeptides

2007 ◽  
Vol 449 (4-6) ◽  
pp. 329-335 ◽  
Author(s):  
Yoshio Okiyama ◽  
Hirofumi Watanabe ◽  
Kaori Fukuzawa ◽  
Tatsuya Nakano ◽  
Yuji Mochizuki ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Orbital Method ◽  
Atomic Charges ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital

Simulations of Chemical Reactions with the Frozen Domain Formulation of the Fragment Molecular Orbital Method

2015 ◽  
Vol 11 (7) ◽  
pp. 3053-3064 ◽  
Author(s):  
Hiroya Nakata ◽  
Dmitri G. Fedorov ◽  
Takeshi Nagata ◽  
Kazuo Kitaura ◽  
Shinichiro Nakamura
Keyword(s):  
Molecular Orbital ◽  
Chemical Reactions ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital
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